Chemical ID: 4122445

CC(C)OCCCNCc1cccs1
Chemical ID:
4122445
Name [?]:
3-isopropoxy-N-(2-thienylmethyl)propan-1-amine
SMILES [?]:
CC(C)OCCCNCc1cccs1
InChi [?]:
InChI=1/C11H19NOS/c1-10(2)13-7-4-6-12-9-11-5-3-8-14-11/h3,5,8,10,12H,4,6-7,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,6,11,7,5,13,9,2,10,8,4,14/E:(1,2)/rA:14nCCCOCCCNCCCCCS/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s11;d12;s10s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H19NOS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:8.28944
Area:436.511
Solvation:-2.62333
Coulombic:-17.8081
Bond Count [?]
All:14
Single:12
Double:2
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:213.341
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.65
LogP (Chemaxon):1.63

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Descriptor Annotations

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